The memory kernel of velocity autocorrelation function on a NiZr-tiquid: theory and simulation

Based on sjtigren und sjolander's Mode-coupling(MC)-Model, we have re- formulated and calculated the memory kernel (MK) of the velocity autocorre- lation function (vACF)on a Ni6.2Zrs.3-liquid. Reformulating means here that we have constructed the memory kernel of vACF for our binary system, in- stead of one for one atomic system of the Sjtigren und Sjolander's model. The data required for the theoretical calculations have been obtained from molec- ular dynamics (MD) simulations. The theoretical results then are compared with those directly obtained from computer simulation. we found, although it exists a qualitative agreement between theoretical predictions and simula- tion results, that quantitatively there is an deviations between both results, especially for Zr-subsystem

Cache-Aware Memory Manager for Optimistic Simulations

Parallel Discrete Event Simulation is a well known technique for executing complex general-purpose simulations where models are described as objects the interaction of which is expressed through the generation of impulsive events. In particular, Optimistic Simulation allows full exploitation of the available computational power, avoiding the need to compute safety properties for the events to be executed. Optimistic Simulation platforms internally rely on several data structures, which are meant to support operations aimed at ensuring correctness, inter-kernel communication and/or event scheduling. These housekeeping and management operations access them according to complex patterns, commonly suffering from misuse of memory caching architectures. In particular, operations like log/restore access data structures on a periodic basis, producing the replacement of in-cache buffers related to the actual working set of the application logic, producing a non-negligible performance drop. In this work we propose generally-applicable design principles for a new memory management subsystem targeted at Optimistic Simulation platforms which can face this issue by wisely allocating memory buffers depending on their actual future access patterns, in order to enhance event-execution memory locality. Additionally, an application-transparent implementation within ROOT-Sim, an open-source generalpurpose optimistic simulation platform, is presented along with experimental results testing our proposal

Consistent and efficient output-streams management in optimistic simulation platforms

Optimistic synchronization is considered an effective means for supporting Parallel Discrete Event Simulations. It relies on a speculative approach, where concurrent processes execute simulation events regardless of their safety, and consistency is ensured via proper rollback mechanisms, upon the a-posteriori detection of causal inconsistencies along the events' execution path. Interactions with the outside world (e.g. generation of output streams) are a well-known problem for rollback-based systems, since the outside world may have no notion of rollback. In this context, approaches for allowing the simulation modeler to generate consistent output rely on either the usage of ad-hoc APIs (which must be provided by the underlying simulation kernel) or temporary suspension of processing activities in order to wait for the final outcome (commit/rollback) associated with a speculatively-produced output. In this paper we present design indications and a reference implementation for an output streams' management subsystem which allows the simulation-model writer to rely on standard output-generation libraries (e.g. stdio) within code blocks associated with event processing. Further, the subsystem ensures that the produced output is consistent, namely associated with events that are eventually committed, and system-wide ordered along the simulation time axis. The above features jointly provide the illusion of a classical (simple to deal with) sequential programming model, which spares the developer from being aware that the simulation program is run concurrently and speculatively. We also show, via an experimental study, how the design/development optimizations we present lead to limited overhead, giving rise to the situation where the simulation run would have been carried out with near-to-zero or reduced output management cost. At the same time, the delay for materializing the output stream (making it available for any type of audit activity) is shown to be fairly limited and constant, especially for good mixtures of I/O-bound vs CPU-bound behaviors at the application level. Further, the whole output streams' management subsystem has been designed in order to provide scalability for I/O management on clusters. © 2013 ACM

Analytic Performance Modeling and Analysis of Detailed Neuron Simulations

Big science initiatives are trying to reconstruct and model the brain by attempting to simulate brain tissue at larger scales and with increasingly more biological detail than previously thought possible. The exponential growth of parallel computer performance has been supporting these developments, and at the same time maintainers of neuroscientific simulation code have strived to optimally and efficiently exploit new hardware features. Current state of the art software for the simulation of biological networks has so far been developed using performance engineering practices, but a thorough analysis and modeling of the computational and performance characteristics, especially in the case of morphologically detailed neuron simulations, is lacking. Other computational sciences have successfully used analytic performance engineering and modeling methods to gain insight on the computational properties of simulation kernels, aid developers in performance optimizations and eventually drive co-design efforts, but to our knowledge a model-based performance analysis of neuron simulations has not yet been conducted. We present a detailed study of the shared-memory performance of morphologically detailed neuron simulations based on the Execution-Cache-Memory (ECM) performance model. We demonstrate that this model can deliver accurate predictions of the runtime of almost all the kernels that constitute the neuron models under investigation. The gained insight is used to identify the main governing mechanisms underlying performance bottlenecks in the simulation. The implications of this analysis on the optimization of neural simulation software and eventually co-design of future hardware architectures are discussed. In this sense, our work represents a valuable conceptual and quantitative contribution to understanding the performance properties of biological networks simulations.Comment: 18 pages, 6 figures, 15 table