Genomic sequence alignment is an important research topic in bioinformatics and continues to attract significant efforts. As genomic data grow exponentially, however, most of alignment methods face challenges due to their huge computational costs. HMMER, a suite of bioinformatics tools, is widely used for the analysis of homologous protein and nucleotide sequences with high sensitivity, based on profile hidden Markov models (HMMs). Its latest version, HMMER3, introdues a heuristic pipeline to accelerate the alignment process, which is carried out on central processing units (CPUs) with the support of streaming SIMD extensions (SSE) instructions. Few acceleration results have since been reported based on HMMER3. In this paper, we propose a five-tiered parallel framework, CUDAMPF++, to accelerate the most computationally intensive stages of HMMER3's pipeline, multiple single segment Viterbi (MSV SSV), on a single graphics processing unit (GPU). As an architecture-aware design, the proposed framework aims to fully utilize hardware resources via exploiting finer-grained parallelism (multi-sequence alignment) compared with its predecessor (CUDAMPF). In addition, we propose a novel method that proactively sacrifices L1 Cache Hit Ratio (CHR) to get improved performance and scalability in return. A comprehensive evaluation shows that the proposed framework outperfroms all existig work and exhibits good consistency in performance regardless of the variation of query models or protein sequence datasets. For MSV (SSV) kernels, the peak performance of the CUDAMPF++ is 283.9 (471.7) GCUPS on a single K40 GPU, and impressive speedups ranging from 1.x (1.7x) to 168.3x (160.7x) are achieved over the CPU-based implementation (16 cores, 32 threads).
As one of the most popular tool for the analysis of homologous protein and nucleotide sequences, HMMER attracts many acceleration attempts. The previous version, HMMER2, is based on Viterbi algorithm that has proved to be the computational bottleneck. The initial effort of GPU-based implementation for HMMER2 is ClawHMMER @cite_11 which introduces a streaming version of Viterbi algorithm for GPUs. They also demonstrate the implementation running on a 16-node GPU cluster, each equipped with a Radeon 9800 Pro GPU. Another early GPU-based implementation is proposed by Walters @cite_7 who properly fit the Viterbi algorithm into the CUDA-enabled GPU with several optimizations, like memory coalescing, proper kernel occupancy and shared constant memory usage, which outperforms the ClawHMMER substantially. Yao @cite_25 present a CPU-GPU cooperative pattern to accelerate HMMER2. Ganesan @cite_5 re-design the aligment process of a single sequence across multiple threads to partially break the sequential dependency in computation of Viterbi scores. This helps building a hybrid task and data-level parallelism that eliminates the overhead due to unbalanced sequence lengths.
@cite_5 @cite_25 @cite_7 @cite_11
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GPUs have recently been used to accelerate data-parallel applications for they provide easier programmability and increased generality while maintaining the tremendous memory bandwidth and computational power. Most of those applications use CPU as a controller who decides when GPUs run the computing-intensive tasks. This CPU-control-GPU-compute pattern wastes much of CPU's computational power. In this paper, we present a new CPU-GPU cooperative pattern for bioinformatics applications which can use both of CPU and GPU to compute. This pattern includes two parts: 1) the load-balanced data structure which manages data to keep the computational efficiency of GPU high enough when the length distribution of sequences in a sequence database is very uneven; 2) multi-threaded code partition which schedules computing on CPU and GPU in a cooperative way. Using this pattern, we develop CuHMMer based on HMMER which is one of the most important algorithms in bioinformatics. The experimental result demonstrates that CuHMMer get 13x to 45x speed up over available CPU implementations and could also outperform the traditional CUDA implementations which use CPU-control-GPU-compute pattern. Searching databases of protein sequences for those proteins that match patterns represented as profile HMMs is a widely performed bioinformatics task. The standard tool for the task is HMMER version 3 from Sean Eddy. HMMER3 achieved significant improvements in performance over version 2 through the introduction of a heuristic filter called the Multiple Segment Viterbi algorithm (MSV) and the use of native SIMD instruction set on modern CPUs. Our objective was to further improve performance by using a general-purpose graphical processing unit (GPU) and the CUDA software environment from Nvidia. In this paper we present the results of parallelizing two life sciences applications, Markov random fields-based (MRF) liver segmentation and HMMER's Viterbi algorithm, using GPUs. We relate our experiences in porting both applications to the GPU as well as the techniques and optimizations that are most beneficial. The unique characteristics of both algorithms are demonstrated by implementations on an NVIDIA 8800 GTX Ultra using the CUDA programming environment. We test multiple enhancements in our GPU kernels in order to demonstrate the effectiveness of each strategy. Our optimized MRF kernel achieves over 130× speedup, and our hmmsearch implementation achieves up to 38× speedup. We show that the differences in speedup between MRF and hmmsearch is due primarily to the frequency at which the hmmsearch must read from the GPU's DRAM. We fundamentally reconsider implementation of the Fast Multipole Method (FMM) on a computing node with a heterogeneous CPU-GPU architecture with multicore CPU(s) and one or more GPU accelerators, as well as on an interconnected cluster of such nodes. The FMM is a divide-and-conquer algorithm that performs a fast N-body sum using a spatial decomposition and is often used in a time-stepping or iterative loop. Using the observation that the local summation and the analysis-based translation parts of the FMM are independent, we map these respectively to the GPUs and CPUs. Careful analysis of the FMM is performed to distribute work optimally between the multicore CPUs and the GPU accelerators. We first develop a single node version where the CPU part is parallelized using OpenMP and the GPU version via CUDA. New parallel algorithms for creating FMM data structures are presented together with load balancing strategies for the single node and distributed multiple-node versions. Our implementation can perform the N-body sum for 128M particles on 16 nodes in 4.23 seconds, a performance not achieved by others in the literature on such clusters.