@Article{kandaswamy:hartree-fock, author = {Meenakshi Kandaswamy and Mahmut Kandemir and Alok Choudhary and David Bernholdt}, title = {An Experimental Study to Analyze and Optimize Hartree-Fock Application's {I/O} with {PASSION}}, journal = {The International Journal of High Performance Computing Applications}, year = {1998}, month = {Winter}, volume = {12}, number = {4}, pages = {411--439}, note = {In a Special Issue on I/O in Parallel Applications}, earlier = {kandaswamy:hartree}, keywords = {parallel I/O application, pario-bib}, abstract = {Many scientific applications tend to perform high volume data storage, data retrieval and data processing, which demands high performance from the I/O subsystem. The focus and contribution of this work is to study the I/O behavior of the Hartree-Fock method using PASSION. HF's I/O phases can contribute up to 62.34\% of the total execution time. We reduce the execution time and I/O time up to 54\% and 6\% respectively of that of the original case through PASSION and its optimizations. Additionally, we categorize the factors that affect the I/O performance of HF into key application-related parameters and key system-related parameters. Based on extensive empirical results and within our experimental space, we order the parameters according to their impact on HF's I/O performance as follows: efficient interface, prefetching, buffering, number of I/O nodes, striping factor and striping unit. We conclude that application-related factors have a more significant effect on HF's I/O performance than the system-related factors within our experimental space.}, comment = {In a Special Issue on I/O in Parallel Applications, volume 12, numbers 3 and 4.} }