1,385 research outputs found
Towards a Mini-App for Smoothed Particle Hydrodynamics at Exascale
The smoothed particle hydrodynamics (SPH) technique is a purely Lagrangian
method, used in numerical simulations of fluids in astrophysics and
computational fluid dynamics, among many other fields. SPH simulations with
detailed physics represent computationally-demanding calculations. The
parallelization of SPH codes is not trivial due to the absence of a structured
grid. Additionally, the performance of the SPH codes can be, in general,
adversely impacted by several factors, such as multiple time-stepping,
long-range interactions, and/or boundary conditions. This work presents
insights into the current performance and functionalities of three SPH codes:
SPHYNX, ChaNGa, and SPH-flow. These codes are the starting point of an
interdisciplinary co-design project, SPH-EXA, for the development of an
Exascale-ready SPH mini-app. To gain such insights, a rotating square patch
test was implemented as a common test simulation for the three SPH codes and
analyzed on two modern HPC systems. Furthermore, to stress the differences with
the codes stemming from the astrophysics community (SPHYNX and ChaNGa), an
additional test case, the Evrard collapse, has also been carried out. This work
extrapolates the common basic SPH features in the three codes for the purpose
of consolidating them into a pure-SPH, Exascale-ready, optimized, mini-app.
Moreover, the outcome of this serves as direct feedback to the parent codes, to
improve their performance and overall scalability.Comment: 18 pages, 4 figures, 5 tables, 2018 IEEE International Conference on
Cluster Computing proceedings for WRAp1
SPH-EXA: Enhancing the Scalability of SPH codes Via an Exascale-Ready SPH Mini-App
Numerical simulations of fluids in astrophysics and computational fluid
dynamics (CFD) are among the most computationally-demanding calculations, in
terms of sustained floating-point operations per second, or FLOP/s. It is
expected that these numerical simulations will significantly benefit from the
future Exascale computing infrastructures, that will perform 10^18 FLOP/s. The
performance of the SPH codes is, in general, adversely impacted by several
factors, such as multiple time-stepping, long-range interactions, and/or
boundary conditions. In this work an extensive study of three SPH
implementations SPHYNX, ChaNGa, and XXX is performed, to gain insights and to
expose any limitations and characteristics of the codes. These codes are the
starting point of an interdisciplinary co-design project, SPH-EXA, for the
development of an Exascale-ready SPH mini-app. We implemented a rotating square
patch as a joint test simulation for the three SPH codes and analyzed their
performance on a modern HPC system, Piz Daint. The performance profiling and
scalability analysis conducted on the three parent codes allowed to expose
their performance issues, such as load imbalance, both in MPI and OpenMP.
Two-level load balancing has been successfully applied to SPHYNX to overcome
its load imbalance. The performance analysis shapes and drives the design of
the SPH-EXA mini-app towards the use of efficient parallelization methods,
fault-tolerance mechanisms, and load balancing approaches.Comment: arXiv admin note: substantial text overlap with arXiv:1809.0801
Improving the scalability of parallel N-body applications with an event driven constraint based execution model
The scalability and efficiency of graph applications are significantly
constrained by conventional systems and their supporting programming models.
Technology trends like multicore, manycore, and heterogeneous system
architectures are introducing further challenges and possibilities for emerging
application domains such as graph applications. This paper explores the space
of effective parallel execution of ephemeral graphs that are dynamically
generated using the Barnes-Hut algorithm to exemplify dynamic workloads. The
workloads are expressed using the semantics of an Exascale computing execution
model called ParalleX. For comparison, results using conventional execution
model semantics are also presented. We find improved load balancing during
runtime and automatic parallelism discovery improving efficiency using the
advanced semantics for Exascale computing.Comment: 11 figure
rDLB: A Novel Approach for Robust Dynamic Load Balancing of Scientific Applications with Parallel Independent Tasks
Scientific applications often contain large and computationally intensive
parallel loops. Dynamic loop self scheduling (DLS) is used to achieve a
balanced load execution of such applications on high performance computing
(HPC) systems. Large HPC systems are vulnerable to processors or node failures
and perturbations in the availability of resources. Most self-scheduling
approaches do not consider fault-tolerant scheduling or depend on failure or
perturbation detection and react by rescheduling failed tasks. In this work, a
robust dynamic load balancing (rDLB) approach is proposed for the robust self
scheduling of independent tasks. The proposed approach is proactive and does
not depend on failure or perturbation detection. The theoretical analysis of
the proposed approach shows that it is linearly scalable and its cost decrease
quadratically by increasing the system size. rDLB is integrated into an MPI DLS
library to evaluate its performance experimentally with two computationally
intensive scientific applications. Results show that rDLB enables the tolerance
of up to (P minus one) processor failures, where P is the number of processors
executing an application. In the presence of perturbations, rDLB boosted the
robustness of DLS techniques up to 30 times and decreased application execution
time up to 7 times compared to their counterparts without rDLB
Preparing HPC Applications for the Exascale Era: A Decoupling Strategy
Production-quality parallel applications are often a mixture of diverse
operations, such as computation- and communication-intensive, regular and
irregular, tightly coupled and loosely linked operations. In conventional
construction of parallel applications, each process performs all the
operations, which might result inefficient and seriously limit scalability,
especially at large scale. We propose a decoupling strategy to improve the
scalability of applications running on large-scale systems.
Our strategy separates application operations onto groups of processes and
enables a dataflow processing paradigm among the groups. This mechanism is
effective in reducing the impact of load imbalance and increases the parallel
efficiency by pipelining multiple operations. We provide a proof-of-concept
implementation using MPI, the de-facto programming system on current
supercomputers. We demonstrate the effectiveness of this strategy by decoupling
the reduce, particle communication, halo exchange and I/O operations in a set
of scientific and data-analytics applications. A performance evaluation on
8,192 processes of a Cray XC40 supercomputer shows that the proposed approach
can achieve up to 4x performance improvement.Comment: The 46th International Conference on Parallel Processing (ICPP-2017
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS
GROMACS is a widely used package for biomolecular simulation, and over the
last two decades it has evolved from small-scale efficiency to advanced
heterogeneous acceleration and multi-level parallelism targeting some of the
largest supercomputers in the world. Here, we describe some of the ways we have
been able to realize this through the use of parallelization on all levels,
combined with a constant focus on absolute performance. Release 4.6 of GROMACS
uses SIMD acceleration on a wide range of architectures, GPU offloading
acceleration, and both OpenMP and MPI parallelism within and between nodes,
respectively. The recent work on acceleration made it necessary to revisit the
fundamental algorithms of molecular simulation, including the concept of
neighborsearching, and we discuss the present and future challenges we see for
exascale simulation - in particular a very fine-grained task parallelism. We
also discuss the software management, code peer review and continuous
integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin
A Tuned and Scalable Fast Multipole Method as a Preeminent Algorithm for Exascale Systems
Among the algorithms that are likely to play a major role in future exascale
computing, the fast multipole method (FMM) appears as a rising star. Our
previous recent work showed scaling of an FMM on GPU clusters, with problem
sizes in the order of billions of unknowns. That work led to an extremely
parallel FMM, scaling to thousands of GPUs or tens of thousands of CPUs. This
paper reports on a a campaign of performance tuning and scalability studies
using multi-core CPUs, on the Kraken supercomputer. All kernels in the FMM were
parallelized using OpenMP, and a test using 10^7 particles randomly distributed
in a cube showed 78% efficiency on 8 threads. Tuning of the
particle-to-particle kernel using SIMD instructions resulted in 4x speed-up of
the overall algorithm on single-core tests with 10^3 - 10^7 particles. Parallel
scalability was studied in both strong and weak scaling. The strong scaling
test used 10^8 particles and resulted in 93% parallel efficiency on 2048
processes for the non-SIMD code and 54% for the SIMD-optimized code (which was
still 2x faster). The weak scaling test used 10^6 particles per process, and
resulted in 72% efficiency on 32,768 processes, with the largest calculation
taking about 40 seconds to evaluate more than 32 billion unknowns. This work
builds up evidence for our view that FMM is poised to play a leading role in
exascale computing, and we end the paper with a discussion of the features that
make it a particularly favorable algorithm for the emerging heterogeneous and
massively parallel architectural landscape
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