Open AccessHybrid programming in high performance scientific computing
Author(s) -
Jonathan L. Bentz
Publication year - 2006
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.31274/rtd-180813-9864
Subject(s) - programmer , computer science , atlas (anatomy) , ibm , operating system , interface (matter) , supercomputer , ibm pc compatible , parallel computing , computational science , programming language , software , physics , bubble , maximum bubble pressure method , optics , biology , paleontology
An application programmer interface (API) is developed to facilitate, via OpenMP, the par allelization of the double precision general matrix multiply routine called from within GAMESS [1] during the execution of the coupled-cluster module for calculating physical properties of molecules. Results are reported using the ATLAS library and the Intel MKL on an Intel machine, and using the ESSL and the ATLAS library on an IBM SP.
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