1,465 research outputs found
Computing Platforms for Big Biological Data Analytics: Perspectives and Challenges.
The last decade has witnessed an explosion in the amount of available biological sequence data, due to the rapid progress of high-throughput sequencing projects. However, the biological data amount is becoming so great that traditional data analysis platforms and methods can no longer meet the need to rapidly perform data analysis tasks in life sciences. As a result, both biologists and computer scientists are facing the challenge of gaining a profound insight into the deepest biological functions from big biological data. This in turn requires massive computational resources. Therefore, high performance computing (HPC) platforms are highly needed as well as efficient and scalable algorithms that can take advantage of these platforms. In this paper, we survey the state-of-the-art HPC platforms for big biological data analytics. We first list the characteristics of big biological data and popular computing platforms. Then we provide a taxonomy of different biological data analysis applications and a survey of the way they have been mapped onto various computing platforms. After that, we present a case study to compare the efficiency of different computing platforms for handling the classical biological sequence alignment problem. At last we discuss the open issues in big biological data analytics
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
MGG: Accelerating Graph Neural Networks with Fine-grained intra-kernel Communication-Computation Pipelining on Multi-GPU Platforms
The increasing size of input graphs for graph neural networks (GNNs)
highlights the demand for using multi-GPU platforms. However, existing
multi-GPU GNN systems optimize the computation and communication individually
based on the conventional practice of scaling dense DNNs. For irregularly
sparse and fine-grained GNN workloads, such solutions miss the opportunity to
jointly schedule/optimize the computation and communication operations for
high-performance delivery. To this end, we propose MGG, a novel system design
to accelerate full-graph GNNs on multi-GPU platforms. The core of MGG is its
novel dynamic software pipeline to facilitate fine-grained
computation-communication overlapping within a GPU kernel. Specifically, MGG
introduces GNN-tailored pipeline construction and GPU-aware pipeline mapping to
facilitate workload balancing and operation overlapping. MGG also incorporates
an intelligent runtime design with analytical modeling and optimization
heuristics to dynamically improve the execution performance. Extensive
evaluation reveals that MGG outperforms state-of-the-art full-graph GNN systems
across various settings: on average 4.41X, 4.81X, and 10.83X faster than DGL,
MGG-UVM, and ROC, respectively
Efficient Irregular Wavefront Propagation Algorithms on Hybrid CPU-GPU Machines
In this paper, we address the problem of efficient execution of a computation
pattern, referred to here as the irregular wavefront propagation pattern
(IWPP), on hybrid systems with multiple CPUs and GPUs. The IWPP is common in
several image processing operations. In the IWPP, data elements in the
wavefront propagate waves to their neighboring elements on a grid if a
propagation condition is satisfied. Elements receiving the propagated waves
become part of the wavefront. This pattern results in irregular data accesses
and computations. We develop and evaluate strategies for efficient computation
and propagation of wavefronts using a multi-level queue structure. This queue
structure improves the utilization of fast memories in a GPU and reduces
synchronization overheads. We also develop a tile-based parallelization
strategy to support execution on multiple CPUs and GPUs. We evaluate our
approaches on a state-of-the-art GPU accelerated machine (equipped with 3 GPUs
and 2 multicore CPUs) using the IWPP implementations of two widely used image
processing operations: morphological reconstruction and euclidean distance
transform. Our results show significant performance improvements on GPUs. The
use of multiple CPUs and GPUs cooperatively attains speedups of 50x and 85x
with respect to single core CPU executions for morphological reconstruction and
euclidean distance transform, respectively.Comment: 37 pages, 16 figure
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