The Parallelism Motifs of Genomic Data Analysis

Genomic data sets are growing dramatically as the cost of sequencing continues to decline and small sequencing devices become available. Enormous community databases store and share this data with the research community, but some of these genomic data analysis problems require large scale computational platforms to meet both the memory and computational requirements. These applications differ from scientific simulations that dominate the workload on high end parallel systems today and place different requirements on programming support, software libraries, and parallel architectural design. For example, they involve irregular communication patterns such as asynchronous updates to shared data structures. We consider several problems in high performance genomics analysis, including alignment, profiling, clustering, and assembly for both single genomes and metagenomes. We identify some of the common computational patterns or motifs that help inform parallelization strategies and compare our motifs to some of the established lists, arguing that at least two key patterns, sorting and hashing, are missing

A computer system to perform structure comparison using TOPS representations of protein structure

We describe the design and implementation of a fast topology–based method for protein structure comparison. The approach uses the TOPS topological representation of protein structure, aligning two structures using a common discovered pattern and generating measure of distance derived from an insert score. Heavy use is made of a constraint-based pattern matching algorithm for TOPS diagrams that we have designed and described elsewhere Gilbert et al. (1999). The comparison system is maintained at the European Bioinformatics Institute and is available over the Web via the at tops.ebi.ac.uk/tops. Users submit a structure description in Protein Data Bank (PDB) format and can compare it with structures in the entire PDB or a representative subset of protein domains, receiving the results by email

Bio-inspired call-stack reconstruction for performance analysis

The correlation of performance bottlenecks and their associated source code has become a cornerstone of performance analysis. It allows understanding why the efficiency of an application falls behind the computer's peak performance and enabling optimizations on the code ultimately. To this end, performance analysis tools collect the processor call-stack and then combine this information with measurements to allow the analyst comprehend the application behavior. Some tools modify the call-stack during run-time to diminish the collection expense but at the cost of resulting in non-portable solutions. In this paper, we present a novel portable approach to associate performance issues with their source code counterpart. To address it, we capture a reduced segment of the call-stack (up to three levels) and then process the segments using an algorithm inspired by multi-sequence alignment techniques. The results of our approach are easily mapped to detailed performance views, enabling the analyst to unveil the application behavior and its corresponding region of code. To demonstrate the usefulness of our approach, we have applied the algorithm to several first-time seen in-production applications to describe them finely, and optimize them by using tiny modifications based on the analyses.We thankfully acknowledge Mathis Bode for giving us access to the Arts CF binaries, and Miguel Castrillo and Kim Serradell for their valuable insight regarding Nemo. We would like to thank Forschungszentrum Jülich for the computation time on their Blue Gene/Q system. This research has been partially funded by the CICYT under contracts No. TIN2012-34557 and TIN2015-65316-P.Peer ReviewedPostprint (author's final draft