Pütz B, Kam-Thong T, Karbalai N, Altmann A, Müller-Myhsok B
MPI of Psychiatry, Statistical Genetics,Munich, Germany.
Methods Inf Med. 2013;52(1):91-5. doi: 10.3414/ME11-02-0049. Epub 2012 Dec 7.
Until recently, genotype studies were limited to the investigation of single SNP effects due to the computational burden incurred when studying pairwise interactions of SNPs. However, some genetic effects as simple as coloring (in plants and animals) cannot be ascribed to a single locus but only understood when epistasis is taken into account [1]. It is expected that such effects are also found in complex diseases where many genes contribute to the clinical outcome of affected individuals. Only recently have such problems become feasible computationally.
The inherently parallel structure of the problem makes it a perfect candidate for massive parallelization on either grid or cloud architectures. Since we are also dealing with confidential patient data, we were not able to consider a cloud-based solution but had to find a way to process the data in-house and aimed to build a local GPU-based grid structure.
Sequential epistatsis calculations were ported to GPU using CUDA at various levels. Parallelization on the CPU was compared to corresponding GPU counterparts with regards to performance and cost.
A cost-effective solution was created by combining custom-built nodes equipped with relatively inexpensive consumer-level graphics cards with highly parallel GPUs in a local grid. The GPU method outperforms current cluster-based systems on a price/performance criterion, as a single GPU shows speed performance comparable up to 200 CPU cores.
The outlined approach will work for problems that easily lend themselves to massive parallelization. Code for various tasks has been made available and ongoing development of tools will further ease the transition from sequential to parallel algorithms.
直到最近,由于研究单核苷酸多态性(SNP)的成对相互作用时会产生计算负担,基因型研究仍局限于对单个SNP效应的调查。然而,一些像(动植物的)着色这样简单的遗传效应不能归因于单个基因座,而只有在考虑上位性时才能理解[1]。预计在复杂疾病中也会发现此类效应,在复杂疾病中许多基因对受影响个体的临床结果都有作用。直到最近,这类问题在计算上才变得可行。
该问题固有的并行结构使其成为在网格或云架构上进行大规模并行化的理想候选对象。由于我们还处理机密的患者数据,所以无法考虑基于云的解决方案,而是必须找到一种内部处理数据的方法,并旨在构建基于本地GPU的网格结构。
使用统一计算设备架构(CUDA)在不同级别将顺序上位性计算移植到GPU上。在性能和成本方面,将CPU上的并行化与相应的GPU并行化进行了比较。
通过在本地网格中将配备相对便宜的消费级显卡的定制节点与高度并行的GPU相结合,创建了一种经济高效的解决方案。在性价比标准方面,GPU方法优于当前基于集群的系统,因为单个GPU的速度性能可与多达200个CPU核心相媲美。
所概述的方法适用于易于进行大规模并行化的问题。已提供了各种任务的代码,并且工具的持续开发将进一步简化从顺序算法到并行算法的过渡。