QTM: computational package using MPI protocol for quantum trajectories method

The Quantum Trajectories Method (QTM) is one of {the} frequently used methods for studying open quantum systems. { The main idea of this method is {the} evolution of wave functions which {describe the system (as functions of time). Then,} so-called quantum jumps are applied at {a} randomly selected point in time. {The} obtained system state is called as a trajectory. After averaging many single trajectories{,} we obtain the approximation of the behavior of {a} quantum system.} {This fact also allows} us to use parallel computation methods. In the article{,} we discuss the QTM package which is supported by the MPI technology. Using MPI allowed {utilizing} the parallel computing for calculating the trajectories and averaging them -- as the effect of these actions{,} the time {taken by} calculations is shorter. In spite of using the C++ programming language, the presented solution is easy to utilize and does not need any advanced programming techniques. At the same time{,} it offers a higher performance than other packages realizing the QTM. It is especially important in the case of harder computational tasks{,} and the use of MPI allows {improving the} performance of particular problems which can be solved in the field of open quantum systems.Comment: 28 pages, 9 figure

Measurement of PVFS2 performance on InfiniBand

InfiniBand is becoming increasingly popular as a fast interconnect technology between servers and storage. It has far better price/performance ratio compared to both Gigabit Ethernet and 10 Gigabit Ethernet, and hence is being increasingly used for high-performance computing applications. PVFS2, the second generation Parallel Virtual File System (PVFS), is a distributed file system for parallel data access that is being increasingly used in clustered applications. As previous studies have shown that in general, PVFS2 over InfiniBand offers enhanced I/O rates compared to PVFS2 over TCP and Gigabit Ethernet. Apart from the hardware technology, the application programming interface into the file system also makes a difference. To get better parallel performance, the choice of a file system interface is important. Our study is to benchmark and compare the performance of PVFS2 running over InfiniBand using different file system interfaces. IOR is a popular I/O microbenchmarking tool that supports the POSIX and MPI I/O file system interfaces. In addition to testing these already supported interfaces, we have written a PVFS2 module extension for IOR to support native PVFS2 interfaces into the PVFS2 file system. As we shall see in this study, using native PVFS2 interface offers significant performance benefit compared to other file system interfaces on the PVFS2 file system. Our benchmarking effort also involves studying the effect of a multi-client environment on the I/O performance of different file system interfaces. Based on the benchmarking results we obtain, we determine the most efficient application programming interface for parallel I/O on PVFS2 in a typical multi-client parallel application scenario

Programming with Purity Reflection: Peaceful Coexistence of Effects, Laziness, and Parallelism

We present purity reflection, a programming language feature that enables higher-order functions to inspect the purity of their function arguments and to vary their behavior based on this information. The upshot is that operations on data structures can selectively use lazy and/or parallel evaluation while ensuring that side effects are never lost or re-ordered. The technique builds on a recent Hindley-Milner style type and effect system based on Boolean unification which supports both effect polymorphism and complete type inference. We illustrate that avoiding the so-called \u27poisoning problem\u27 is crucial to support purity reflection. We propose several new data structures that use purity reflection to switch between eager and lazy, sequential and parallel evaluation. We propose a DelayList, which is maximally lazy but switches to eager evaluation for impure operations. We also propose a DelayMap which is maximally lazy in its values, but also exploits eager and parallel evaluation. We implement purity reflection as an extension of the Flix programming language. We present a new effect-aware form of monomorphization that eliminates purity reflection at compile-time. And finally, we evaluate the cost of this new monomorphization on compilation time and on code size, and determine that it is minimal

Large-scale Simulations of 3D Groundwater Flow Using Parallel Geometric Multigrid Method

AbstractThe multigrid method used with OpenMP/MPI hybrid parallel programming models is expected to play an important role in large-scale scientific computing on post-peta/exa-scale supercomputer systems. In the present work, the effect of sparse matrix storage formats on the performance of parallel geometric multigrid solvers was evaluated, and a new data structure for the Ellpack-Itpack (ELL) format is proposed. The proposed method is implemented for pGW3D-FVM, a parallel code for 3D groundwater flow simulations using the multigrid method, and the robustness and performance of the code was evaluated on up to 4,096 nodes (65,536 cores) of the Fujistu FX10 supercomputer system at the University of Tokyo. The parallel multigrid solver using the ELL format with coarse grid aggregation provided excellent performance improvement in both weak scaling (13%–35%) and strong scaling (40%–70%) compared to the original code using the CRS format

Investigation of design and execution alternatives for the committed choice non-deterministic logic languages

The general area of developing, applying and studying new and parallel models of computation is motivated by a need to overcome the limits of current Von Neumann based architectures. A key area of research in understanding how new technology can be applied to Al problem solving is through using logic languages. Logic programming languages provide a procedural interpretation for sentences of first order logic, mainly using a class of sentence called Horn clauses. Horn clauses are open to a wide variety of parallel evaluation models, giving possible speed-ups and alternative parallel models of execution. The research in this thesis is concerned with investigating one class of parallel logic language known as Committed Choice Non-Deterministic languages. The investigation considers the inherent parallel behaviour of Al programs implemented in the CCND languages and the effect of various alternatives open to language implementors and designers. This is achieved by considering how various Al programming techniques map to alternative language designs and the behaviour of these Al programs on alternative implementations of these languages. The aim of this work is to investigate how Al programming techniques are affected (qualitatively and quantitatively) by particular language features. The qualitative evaluation is a consideration of how Al programs can be mapped to the various CCND languages. The applications considered are general search algorithms (which focuses on the committed choice nature of the languages); chart parsing (which focuses on the differences between safe and unsafe languages); and meta-level inference (which focuses on the difference between deep and flat languages). The quantitative evaluation considers the inherent parallel behaviour of the resulting programs and the effect of possible implementation alternatives on this inherent behaviour. To carry out this quantitative evaluation we have implemented a system which improves on the current interpreter based evaluation systems. The new system has an improved model of execution and allows severa