6533b7dcfe1ef96bd12734da

RESEARCH PRODUCT

Parallel algorithms for large-scale biological sequence alignment on Xeon-Phi based clusters

Kai XuBertil SchmidtShaoliang PengYuandong ChanWeiguo LiuHaidong Lan

subject

0301 basic medicineXeon Phi clustersComputer scienceData parallelismParallel algorithm02 engineering and technologyDynamic programmingBiochemistryPairwise sequence alignmentComputational science03 medical and health sciencesStructural BiologyComputer cluster0202 electrical engineering electronic engineering information engineeringAmino Acid SequenceDatabases ProteinMolecular Biology020203 distributed computingResearchApplied MathematicsComputational BiologyProteinsSmith-WatermanComputer Science Applications030104 developmental biologyMultiple sequence alignmentDatabases Nucleic AcidSequence AlignmentAlgorithmsSoftwareXeon Phi

description

Computing alignments between two or more sequences are common operations frequently performed in computational molecular biology. The continuing growth of biological sequence databases establishes the need for their efficient parallel implementation on modern accelerators. This paper presents new approaches to high performance biological sequence database scanning with the Smith-Waterman algorithm and the first stage of progressive multiple sequence alignment based on the ClustalW heuristic on a Xeon Phi-based compute cluster. Our approach uses a three-level parallelization scheme to take full advantage of the compute power available on this type of architecture; i.e. cluster-level data parallelism, thread-level coarse-grained parallelism, and vector-level fine-grained parallelism. Furthermore, we re-organize the sequence datasets and use Xeon Phi shuffle operations to improve I/O efficiency. Evaluations show that our method achieves a peak overall performance up to 220 GCUPS for scanning real protein sequence databanks on a single node consisting of two Intel E5-2620 CPUs and two Intel Xeon Phi 7110P cards. It also exhibits good scalability in terms of sequence length and size, and number of compute nodes for both database scanning and multiple sequence alignment. Furthermore, the achieved performance is highly competitive in comparison to optimized Xeon Phi and GPU implementations. Our implementation is available at https://github.com/turbo0628/LSDBS-mpi .

https://doi.org/10.1186/s12859-016-1128-0