TY - GEN
T1 - Optimization and evaluation of hartree-fock application's I/O with PASSION
AU - Kandaswamy, Meenakshi A.
AU - Kandemir, Mahmut T.
AU - Choudhary, Alok N.
AU - Bernholdt, David E.
PY - 1997
Y1 - 1997
N2 - Parallel machines are an important part of the scientific application developer's tool box and the processing demands placed on these machines are rapidly increasing. Many scientific applications tend to perform high volume data storage, data retrieval and data processing, which demands high performance from the I/O subsystem. In this paper, we conduct an experimental study of the I/O performed by the Hartree-Fock (HF) method, as implemented using a fully distributed data approach in the NWChem parallel computational chemistry package. We use PASSION, a parallel and scalable I/O library to improve the I/O performance of the application and present extensive experimental results. The effects of both application-related factors and system-related factors on the application's I/O performance are studied in detail. We rank the optimizations based on the significance and impact on the performance of HF's I/O phase as: I. efficient interface to the file system, II. prefetching, and III. buffering. The results show that within the limits of our experimental framework, application-related factors are more effective on the overall I/O behavior of this application. We obtained up to 95% improvement in I/O time and 43% improvement in the overall application performance with the optimizations.
AB - Parallel machines are an important part of the scientific application developer's tool box and the processing demands placed on these machines are rapidly increasing. Many scientific applications tend to perform high volume data storage, data retrieval and data processing, which demands high performance from the I/O subsystem. In this paper, we conduct an experimental study of the I/O performed by the Hartree-Fock (HF) method, as implemented using a fully distributed data approach in the NWChem parallel computational chemistry package. We use PASSION, a parallel and scalable I/O library to improve the I/O performance of the application and present extensive experimental results. The effects of both application-related factors and system-related factors on the application's I/O performance are studied in detail. We rank the optimizations based on the significance and impact on the performance of HF's I/O phase as: I. efficient interface to the file system, II. prefetching, and III. buffering. The results show that within the limits of our experimental framework, application-related factors are more effective on the overall I/O behavior of this application. We obtained up to 95% improvement in I/O time and 43% improvement in the overall application performance with the optimizations.
KW - Computational chemistry
KW - File system interface
KW - High-performance I/O
KW - Parallel application
KW - Prefetching
KW - Run-time system
UR - http://www.scopus.com/inward/record.url?scp=84900300570&partnerID=8YFLogxK
U2 - 10.1145/509593.509624
DO - 10.1145/509593.509624
M3 - Conference contribution
AN - SCOPUS:84900300570
SN - 0897919858
SN - 9780897919852
T3 - Proceedings of the International Conference on Supercomputing
BT - Proceedings of the 1997 ACM/IEEE Conference on Supercomputing, SC 1997
PB - Association for Computing Machinery
T2 - 1997 ACM/IEEE Conference on Supercomputing, SC 1997
Y2 - 15 November 1997 through 21 November 1997
ER -