2009 | OriginalPaper | Chapter
Use of Cluster OpenMP with the Gaussian Quantum Chemistry Code: A Preliminary Performance Analysis
Authors: Rui Yang, Jie Cai, Alistair P. Rendell, V. Ganesh
Publisher: Springer Berlin Heidelberg
The Intel Cluster OpenMP (CLOMP) compiler and associated runtime environment offer the potential to run OpenMP applications over a few nodes of a cluster. This paper reports on our efforts to use CLOMP with the
Gaussian
quantum chemistry code. Sample results on a four node quad core Intel cluster show reasonable speedups. In some cases it is found preferable to use multiple nodes compared to using multiple cores within a single node. The performances of the different benchmarks are analyzed in terms of page faults and by using a critical path analysis technique.
