parallelization of label-free protein quantification software quantwiz based on gpu

Abstract

QuantWiz是一款基于质谱的非标记定量软件,可很好地应用于定量蛋白质组学。实验数据的日益增大,使定量的计算量巨大,耗费时间长。GPU以几百GFlops甚至上TFlops的运算能力,为定量蛋白质组学这样的计算密集型应用提供了良好的加速方案。对QuantWiz软件做了深入的研究与分析,找到了软件性能的热点模块所在,提出了该软件在GPU上的加速方案———GPU-QuantWiz,并进行了实现。性能测试显示,在Tesla C1060上,该方案的平均加速比达到9.66倍,得到了良好的加速效果。同时,该方案还可以扩展到两块及以上的GPU上,具有良好的可扩展性。QuantWiz is a label-free quantitative software based on mass spectrometry,well used in quantitative proteomics.The increasing experimental data causes the enormous workload.Having hundreds of GFlops or even TFlops performance,GPU can speed up such compute-intensive quantitative proteomics applications.This article analyzed the software QuantWiz,to find the hotspot module of this software.Then we presented an accelerated program on GPU for this software called GPU-QuantWiz and implemented it under CUDA Framework.Statistical performance results show that the accelerated program can achieve good performance,with 9.66 speedup.Moreover,our algorithm can be exten-ded on two or more GPUs,with a good scalability

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